(NZ)-N-(3-ethyl-4-oxo-1,3-thiazolidin-2-ylidene)-4-methylbenzenesulfonamide

C12H14N2O3S2 — CID 6507304

IUPAC(NZ)-N-(3-ethyl-4-oxo-1,3-thiazolidin-2-ylidene)-4-methylbenzenesulfonamide
SMILESCCN1C(=O)CS/C1=N\S(=O)(=O)c1ccc(C)cc1
InChIInChI=1S/C12H14N2O3S2/c1-3-14-11(15)8-18-12(14)13-19(16,17)10-6-4-9(2)5-7-10/h4-7H,3,8H2,1-2H3/b13-12-
InChIKeyZPAHEZCYLXAFBT-SEYXRHQNSA-N
MW298.39 g/mol
LogP1.64
Rot. Bonds3

About (NZ)-N-(3-ethyl-4-oxo-1,3-thiazolidin-2-ylidene)-4-methylbenzenesulfonamide

(NZ)-N-(3-ethyl-4-oxo-1,3-thiazolidin-2-ylidene)-4-methylbenzenesulfonamide (PubChem CID 6507304) has the molecular formula C12H14N2O3S2 and a molecular weight of 298.39 g/mol. Its IUPAC name is (NZ)-N-(3-ethyl-4-oxo-1,3-thiazolidin-2-ylidene)-4-methylbenzenesulfonamide.

Molecular Properties

Compound Name(NZ)-N-(3-ethyl-4-oxo-1,3-thiazolidin-2-ylidene)-4-methylbenzenesulfonamide
PubChem CID6507304
Molecular FormulaC12H14N2O3S2
Molecular Weight298.39 g/mol
Exact Mass298.04
IUPAC Name(NZ)-N-(3-ethyl-4-oxo-1,3-thiazolidin-2-ylidene)-4-methylbenzenesulfonamide
SMILESCCN1C(=O)CS/C1=N\S(=O)(=O)c1ccc(C)cc1
InChIInChI=1S/C12H14N2O3S2/c1-3-14-11(15)8-18-12(14)13-19(16,17)10-6-4-9(2)5-7-10/h4-7H,3,8H2,1-2H3/b13-12-
InChIKeyZPAHEZCYLXAFBT-SEYXRHQNSA-N
XLogP1.64
TPSA66.81 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.39
LogP ≤ 51.64
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (NZ)-N-(3-ethyl-4-oxo-1,3-thiazolidin-2-ylidene)-4-methylbenzenesulfonamide?
The IUPAC name of (NZ)-N-(3-ethyl-4-oxo-1,3-thiazolidin-2-ylidene)-4-methylbenzenesulfonamide (CID 6507304) is (NZ)-N-(3-ethyl-4-oxo-1,3-thiazolidin-2-ylidene)-4-methylbenzenesulfonamide.
What is the SMILES notation for (NZ)-N-(3-ethyl-4-oxo-1,3-thiazolidin-2-ylidene)-4-methylbenzenesulfonamide?
The canonical SMILES for (NZ)-N-(3-ethyl-4-oxo-1,3-thiazolidin-2-ylidene)-4-methylbenzenesulfonamide is CCN1C(=O)CS/C1=N\S(=O)(=O)c1ccc(C)cc1.
What is the InChIKey of (NZ)-N-(3-ethyl-4-oxo-1,3-thiazolidin-2-ylidene)-4-methylbenzenesulfonamide?
The InChIKey is ZPAHEZCYLXAFBT-SEYXRHQNSA-N. The full InChI is InChI=1S/C12H14N2O3S2/c1-3-14-11(15)8-18-12(14)13-19(16,17)10-6-4-9(2)5-7-10/h4-7H,3,8H2,1-2H3/b13-12-.
What are the key properties of (NZ)-N-(3-ethyl-4-oxo-1,3-thiazolidin-2-ylidene)-4-methylbenzenesulfonamide?
(NZ)-N-(3-ethyl-4-oxo-1,3-thiazolidin-2-ylidene)-4-methylbenzenesulfonamide has a molecular weight of 298.39 g/mol, XLogP of 1.64, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (NZ)-N-(3-ethyl-4-oxo-1,3-thiazolidin-2-ylidene)-4-methylbenzenesulfonamide is sourced from PubChem (CID 6507304), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).